SMILES:
CCC(N)c1cccc(Br)n1Molecular Processing
Molecular formula
C8H11BrN2
Molecular weight
215.09
Exact mass
214.0106
XLogP
2.25
TPSA
38.91
H-bond donors
1
H-bond acceptors
2
Rotatable bonds
2
Heavy atoms
11
Rings
1
Aromatic rings
1
Saturated rings
0
Aliphatic rings
0
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
3
Covalent units
1
Fraction Csp3
0.375
Molar refractivity
49.16
Supplementary Information
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